Details of the Drug

General Information of Drug (ID: DMVPIYG)

• Drug Name: 8-Br-adenine
• Synonyms: 8-Bromoadenine; 8-bromo-7H-purin-6-amine; 6974-78-3; 8-Bromo-9H-purin-6-amine; 8-Br-adenine; 8-Bromo-1H-adenine; 6-Amino-8-bromopurine; 8-bromopurine-6-ylamine; EINECS 230-225-1; NSC 21697; CHEMBL65747; 8-Bromo-9H-purin-6-ylamine; FVXHPCVBOXMRJP-UHFFFAOYSA-N; W-203555; 1H-Purin-6-amine, 8-bromo-; 8-bromo-1h-purin-6-amine; 8-bromadenin; 8-Bromo adenine; SCHEMBL8565; AC1L31DI; Oprea1_043695; 8-Bromo-9H-purine-6-amine; 9H-Purin-6-amine,2-bromo-; 9H-Purin-6-amine,8-bromo-; 8-Bromo-9H-purin-6-amine #; CTK4G0895; DTXSID70220036

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 214.02
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C5H4BrN5
  IUPAC Name: 8-bromo-7H-purin-6-amine
  Canonical SMILES: C1=NC(=C2C(=N1)N=C(N2)Br)N
  InChI: InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
  InChIKey: FVXHPCVBOXMRJP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 81457
  CAS Number: 6974-78-3
  TTD ID: D0O6NS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

References

• [1] 8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorg Med Chem. 2009 Apr 1;17(7):2812-22.